methyl 6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4435 |
| Compound Name: | methyl 6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C16 H17 N5 O3 S2 |
| Smiles: | Cc1ccccc1C1C(=C(CSc2nnc(N)s2)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.859 |
| logD: | 1.6504 |
| logSw: | -2.3649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.864 |
| InChI Key: | XZHWCXLGYRPZQM-GFCCVEGCSA-N |